Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools
Topics
[1] plt tool mislabelling atoms with ECPs
[2] Calculate the polarizability tensor for molecules
[3] What does the output of freeH mean?
[4] QTAIM for periodic calculations
[5] what is the unit for the quadrupole moment from ridft?
[6] intrinsic-atomic dipole moment
[7] Plotting Coupled Cluster Correlated Densities
[8] Different results between t2x and t2x -c
[9] Cube file export: erroneous shift?
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